5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid

C16H18N4O2 — CID 126828577

IUPAC5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1ccc(C=Cc2cnc(C(=O)O)cn2)cn1
InChIInChI=1S/C16H18N4O2/c1-11(2)20(3)15-7-5-12(8-19-15)4-6-13-9-18-14(10-17-13)16(21)22/h4-11H,1-3H3,(H,21,22)
InChIKeyKBJXFJCZUHHLOJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.58
Rot. Bonds5

About 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid

5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid (PubChem CID 126828577) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid
PubChem CID126828577
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1ccc(C=Cc2cnc(C(=O)O)cn2)cn1
InChIInChI=1S/C16H18N4O2/c1-11(2)20(3)15-7-5-12(8-19-15)4-6-13-9-18-14(10-17-13)16(21)22/h4-11H,1-3H3,(H,21,22)
InChIKeyKBJXFJCZUHHLOJ-UHFFFAOYSA-N
XLogP2.58
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid (CID 126828577) is 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid is CC(C)N(C)c1ccc(C=Cc2cnc(C(=O)O)cn2)cn1.
What is the InChIKey of 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid?
The InChIKey is KBJXFJCZUHHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)20(3)15-7-5-12(8-19-15)4-6-13-9-18-14(10-17-13)16(21)22/h4-11H,1-3H3,(H,21,22).
What are the key properties of 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid?
5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 126828577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).